N-benzyl-3-(2-{N-methyl[3-(methylsulfanyl)phenyl]carbamamido}ethyl)-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
N-benzyl-3-(2-{N-methyl[3-(methylsulfanyl)phenyl]carbamamido}ethyl)-1,2,4-oxadiazole-5-carboxamide
N-benzyl-3-(2-{N-methyl[3-(methylsulfanyl)phenyl]carbamamido}ethyl)-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | L080-0503 |
| Compound Name: | N-benzyl-3-(2-{N-methyl[3-(methylsulfanyl)phenyl]carbamamido}ethyl)-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 425.51 |
| Molecular Formula: | C21 H23 N5 O3 S |
| Smiles: | CN(CCc1nc(C(NCc2ccccc2)=O)on1)C(Nc1cccc(c1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9329 |
| logD: | 2.9328 |
| logSw: | -3.5827 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.541 |
| InChI Key: | GMYWTTSRVNAFDP-UHFFFAOYSA-N |